Crystallography Open Database

Information card for entry 4502018

4502017 << 4502018 >> 4502019

Preview

Coordinates	4502018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Mn N3 O5
Calculated formula	C21 H16 Mn N3 O5
Title of publication	Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid
Authors of publication	Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	4176
a	15.8151 ± 0.0019 Å
b	15.5794 ± 0.0019 Å
c	16.745 ± 0.002 Å
α	90°
β	108.202 ± 0.002°
γ	90°
Cell volume	3919.3 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179551 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/20.	4502018.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502018.cif
36204	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502015, 4502016, 4502017, 4502018, 4502019, 4502020 via cif-deposit CGI script.	4502018.cif